[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]methanone

C18H17N9O2 — CID 164694408

IUPAC[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]methanone
SMILESCOc1cccc(C2CN(C(=O)c3nc(-n4cnnc4)n[nH]3)Cc3[nH]cnc32)c1
InChIInChI=1S/C18H17N9O2/c1-29-12-4-2-3-11(5-12)13-6-26(7-14-15(13)20-8-19-14)17(28)16-23-18(25-24-16)27-9-21-22-10-27/h2-5,8-10,13H,6-7H2,1H3,(H,19,20)(H,23,24,25)
InChIKeyCEJLPRSNXRNLPP-UHFFFAOYSA-N
MW391.40 g/mol
LogP0.90
Rot. Bonds4

About [7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]methanone

[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]methanone (PubChem CID 164694408) has the molecular formula C18H17N9O2 and a molecular weight of 391.40 g/mol. Its IUPAC name is [7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]methanone.

Molecular Properties

Compound Name[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]methanone
PubChem CID164694408
Molecular FormulaC18H17N9O2
Molecular Weight391.40 g/mol
Exact Mass391.15
IUPAC Name[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]methanone
SMILESCOc1cccc(C2CN(C(=O)c3nc(-n4cnnc4)n[nH]3)Cc3[nH]cnc32)c1
InChIInChI=1S/C18H17N9O2/c1-29-12-4-2-3-11(5-12)13-6-26(7-14-15(13)20-8-19-14)17(28)16-23-18(25-24-16)27-9-21-22-10-27/h2-5,8-10,13H,6-7H2,1H3,(H,19,20)(H,23,24,25)
InChIKeyCEJLPRSNXRNLPP-UHFFFAOYSA-N
XLogP0.90
TPSA130.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]methanone with MolForge

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Related Compounds

1H-indol-6-yl-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 164692468
1H-indol-2-yl-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 164695772
[4-(hydroxymethyl)-2-pyridinyl]-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 165417713
formic acid;3-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]-1H-pyridin-2-one
CID 171322404
1,3-dihydro-2-benzofuran-4-yl-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;formic acid
CID 166598641
(2-ethyl-5-methylpyrazol-3-yl)-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;formic acid
CID 166598227
2-(3,5-dimethylpyrazol-1-yl)-1-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone
CID 165419182
1-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-(1H-pyrazol-4-yl)propan-1-one
CID 164696999
2-(2,6-dimethyl-4-pyridinyl)-1-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone;formic acid
CID 166598211
[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-methoxy-4-pyridinyl)methanone
CID 164700123
(3-hydroxy-2-pyridinyl)-[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 165427122
3,4-dihydro-2H-chromen-6-yl-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;formic acid
CID 171322513

Frequently Asked Questions

What is the IUPAC name of [7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]methanone?
The IUPAC name of [7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]methanone (CID 164694408) is [7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]methanone.
What is the SMILES notation for [7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]methanone?
The canonical SMILES for [7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]methanone is COc1cccc(C2CN(C(=O)c3nc(-n4cnnc4)n[nH]3)Cc3[nH]cnc32)c1.
What is the InChIKey of [7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]methanone?
The InChIKey is CEJLPRSNXRNLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N9O2/c1-29-12-4-2-3-11(5-12)13-6-26(7-14-15(13)20-8-19-14)17(28)16-23-18(25-24-16)27-9-21-22-10-27/h2-5,8-10,13H,6-7H2,1H3,(H,19,20)(H,23,24,25).
What are the key properties of [7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]methanone?
[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]methanone has a molecular weight of 391.40 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]methanone is sourced from PubChem (CID 164694408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).